8-[[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(4-fluorophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H18FNO4S MolecularWeight: 459.488823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)C4=CC=C(C=C4)F)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)C4=CC=C(C=C4)F)C(=CC=C2)C(=O)O

InChI

InChI=1S/C26H18FNO4S/c27-18-9-7-16(8-10-18)23(29)15-33-20-13-11-19(12-14-20)28-25(30)21-5-1-3-17-4-2-6-22(24(17)21)26(31)32/h1-14H,15H2,(H,28,30)(H,31,32)